2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile

C12H16N2O — CID 112609123

IUPAC2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
SMILESCCNCc1cccc(C)c1OCC#N
InChIInChI=1S/C12H16N2O/c1-3-14-9-11-6-4-5-10(2)12(11)15-8-7-13/h4-6,14H,3,8-9H2,1-2H3
InChIKeyONJBGUJQPJNHNJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile

2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile (PubChem CID 112609123) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
PubChem CID112609123
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
SMILESCCNCc1cccc(C)c1OCC#N
InChIInChI=1S/C12H16N2O/c1-3-14-9-11-6-4-5-10(2)12(11)15-8-7-13/h4-6,14H,3,8-9H2,1-2H3
InChIKeyONJBGUJQPJNHNJ-UHFFFAOYSA-N
XLogP2.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile (CID 112609123) is 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile is CCNCc1cccc(C)c1OCC#N.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile?
The InChIKey is ONJBGUJQPJNHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14-9-11-6-4-5-10(2)12(11)15-8-7-13/h4-6,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile?
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile is sourced from PubChem (CID 112609123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).